capsazepine

Ligand id: 2461

Name: capsazepine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 87.82
Molecular weight 376.1
XLogP 4.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
Database Links
BindingDB Ligand 20284
CAS Registry No. 138977-28-3 (source: Scifinder)
ChEMBL Ligand CHEMBL391997
PubChem CID 2733484
RCSB PDB Ligand 6ET
Search Google for chemical match using the InChIKey DRCMAZOSEIMCHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DRCMAZOSEIMCHM
Search UniChem for chemical match using the InChIKey DRCMAZOSEIMCHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DRCMAZOSEIMCHM
Wikipedia Capsazepine